methyl 2-[(3-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-butoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-3-4-10-26-15-7-5-6-13(11-15)18(23)22-20-21-16-9-8-14(19(24)25-2)12-17(16)27-20/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,22,23)